Glycoside
GD030544
Name:
NoneFormula:
C24H24O6NClSmiles:
N#CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1Aglycone:
N#CCc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.9 | Num_heavy_atoms: | 31 |
| TPSA: | 123.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD19759
Formula: C18H14ONCl
Smiles:
N#CCc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 283.76 | Num_heavy_atoms: | 20 |
| TPSA: | 33.02 | NumAromaticRings: | 2 |
